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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H15BrF3N3O5S
Molecular Weight 534.304
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-[(3S)-7-bromo-5-pyridin-2-yl-2-(trifluoromethylsulfonyloxy)-3H-1,4-benzodiazepin-3-yl]propanoate

SMILES

COC(=O)CC[C@@H]1N=C(C2=NC=CC=C2)C3=C(C=CC(Br)=C3)N=C1OS(=O)(=O)C(F)(F)F

InChI

InChIKey=FSUOYCUKGAFQGO-HNNXBMFYSA-N
InChI=1S/C19H15BrF3N3O5S/c1-30-16(27)8-7-15-18(31-32(28,29)19(21,22)23)26-13-6-5-11(20)10-12(13)17(25-15)14-4-2-3-9-24-14/h2-6,9-10,15H,7-8H2,1H3/t15-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl 3-[(3S)-7-bromo-5-pyridin-2-yl-2-(trifluoromethylsulfonyloxy)-3H-1,4-benzodiazepin-3-yl]propanoate
Systematic Name English
3H-1,4-Benzodiazepine-3-propanoic acid, 7-bromo-5-(2-pyridinyl)-2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester, (3S)-
Preferred Name English
Code System Code Type Description
PUBCHEM
135304780
Created by admin on Wed Apr 02 21:01:18 GMT 2025 , Edited by admin on Wed Apr 02 21:01:18 GMT 2025
PRIMARY
FDA UNII
42E4A66TPS
Created by admin on Wed Apr 02 21:01:18 GMT 2025 , Edited by admin on Wed Apr 02 21:01:18 GMT 2025
PRIMARY
CAS
2242643-48-5
Created by admin on Wed Apr 02 21:01:18 GMT 2025 , Edited by admin on Wed Apr 02 21:01:18 GMT 2025
PRIMARY